CID 43811099

5-(trifluoromethyl)-1,2-benzoxazol-3-amine

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
C1=CC2=C(C=C1C(F)(F)F)C(=NO2)N
InChI
InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)
InChIKey
LSKOZQNIAMSAIB-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 134.7
[M+Na]+ 225.02462 146.7
[M-H]- 201.02812 135.5
[M+NH4]+ 220.06922 154.1
[M+K]+ 240.99856 144.2
[M+H-H2O]+ 185.03266 126.6
[M+HCOO]- 247.03360 155.4
[M+CH3COO]- 261.04925 184.4
[M+Na-2H]- 223.01007 142.8
[M]+ 202.03485 132.9
[M]- 202.03595 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe